Glycoside
GD138548
Name:
2-{[1,6-dimethyl-4-(propan-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H38O12Smiles:
Cc1cc2c(C(C)C)cc(OC3OC(CO)C(O)C(O)C3O)c(C)c2cc1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1cc2c(C(C)C)cc(O)c(C)c2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 554.59 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD55909
Formula: C15H18O2
Smiles:
Cc1cc2c(C(C)C)cc(O)c(C)c2cc1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.31 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 2 |
